2HCR
crystal structure of human phosphoribosyl pyrophosphate synthetase 1 in complex with AMP(ATP), cadmium and sulfate ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-06-02 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 170.236, 170.236, 61.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.200 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h06 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.163 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK (7.1SSI) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 24.660 | 2.280 |
High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
Rmerge | 0.074 | 0.030 | 0.359 |
Total number of observations | 19897 | 18908 | |
Number of reflections | 32945 | ||
<I/σ(I)> | 7.9 | 22.4 | 2.1 |
Completeness [%] | 97.1 | 94.7 | 96.8 |
Redundancy | 5.59 | 5.33 | 5.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.15 | 293 | 0.1M citric acid, 1.3M ammonium sulfate, 0.02M sodium dihydrogen phosphate, 0.4M sodium chloride, 0.01M ATP, 0.01M cadmium chloride, pH 4.15, VAPOR DIFFUSION, HANGING DROP, temperature 293K |